1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide

C19H17ClN6O — CID 67029035

IUPAC1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1ncn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1
InChIInChI=1S/C19H17ClN6O/c1-24(2)19(27)18-21-12-25(23-18)11-15-17(13-6-8-14(20)9-7-13)22-16-5-3-4-10-26(15)16/h3-10,12H,11H2,1-2H3
InChIKeyDVHBIBFOTUEHQI-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.00
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide

1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 67029035) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID67029035
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1ncn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1
InChIInChI=1S/C19H17ClN6O/c1-24(2)19(27)18-21-12-25(23-18)11-15-17(13-6-8-14(20)9-7-13)22-16-5-3-4-10-26(15)16/h3-10,12H,11H2,1-2H3
InChIKeyDVHBIBFOTUEHQI-UHFFFAOYSA-N
XLogP3.00
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-(dimethylamino)pyrimidin-2-one
CID 67028507
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 134203633
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylbutanamide
CID 135020833
2-(4-chlorophenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 18279274
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
CID 123204073
2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 155255038
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-oxo-N,N-di(propan-2-yl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxamide
CID 168863968
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-cyclohexyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 134203756
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide
CID 164792864

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide (CID 67029035) is 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide is CN(C)C(=O)c1ncn(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)n1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DVHBIBFOTUEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-24(2)19(27)18-21-12-25(23-18)11-15-17(13-6-8-14(20)9-7-13)22-16-5-3-4-10-26(15)16/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide?
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 67029035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).